N-[4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]phenyl]benzamide

Systemtic Name: N-[4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]phenyl]benzamide Openeye Name: N-[4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methylamino]phenyl]benzamide CAS Name: N-[4-[(5-nitro-1,3-dioxo-2-isoindolyl)methylamino]phenyl]benzamide IUPAC Name: N-[4-[(5-nitro-1,3-dioxoisoindol-2-yl)methylamino]phenyl]benzamide Traditional Name: N-[4-[(1,3-diketo-5-nitro-isoindolin-2-yl)methylamino]phenyl]benzamide Formula: C22H16N4O5 MolecularWeight: 416.38624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5/c27-20(14-4-2-1-3-5-14)24-16-8-6-15(7-9-16)23-13-25-21(28)18-11-10-17(26(30)31)12-19(18)22(25)29/h1-12,23H,13H2,(H,24,27)